Home Nitriles 5-cyclopropyl-4H-1,2,4-triazole-3-carbonitrile

5-cyclopropyl-4H-1,2,4-triazole-3-carbonitrile

CAS No.:
1909319-66-9
Catalog Number:
AG01BA9N
Molecular Formula:
C6H6N4
Molecular Weight:
134.1386
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Product Description
Catalog Number:
AG01BA9N
Chemical Name:
5-cyclopropyl-4H-1,2,4-triazole-3-carbonitrile
CAS Number:
1909319-66-9
Molecular Formula:
C6H6N4
Molecular Weight:
134.1386
MDL Number:
MFCD29047159
IUPAC Name:
5-cyclopropyl-1H-1,2,4-triazole-3-carbonitrile
InChI:
InChI=1S/C6H6N4/c7-3-5-8-6(10-9-5)4-1-2-4/h4H,1-2H2,(H,8,9,10)
InChI Key:
UBZTXIGRPWZEFQ-UHFFFAOYSA-N
SMILES:
N#Cc1nnc([nH]1)C1CC1
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.059g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
134.142g/mol
Monoisotopic Mass:
134.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties